Geometry & MOs

Info

ID:	294103
PubChem CID:	117427152
Reduced:	ClNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	269.045486
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	4.61
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloro-1,3-benzodioxol-4-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(C1)OC3=C(O2)C=C(C(=C3)C(C(=O)O)N)Cl

DOS

IR

Vibrations